Basic information
- CAS
5272-73-1- Standard SMILES
Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-]- InChIKey
KAICNGKVERRMAH-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3O4
- Average molar mass
- 319.7 g/mol
- Monoisotopic mass
- 319.0359835
Names & identifiers
- Preferred name
- N-[(E)-(2-chloro-5-nitrophenyl)methylidene]-4-methyl-3-nitroaniline
- IUPAC
- 1-(2-chloro-5-nitrophenyl)-N-(4-methyl-3-nitrophenyl)methanimine
Names & synonyms
STK0250665272-73-1DTXSID70366867N-[(E)-(2-chloro-5-nitrophenyl)methylidene]-4-methyl-3-nitroanilineAKOS000530279ST50234351(1E)-2-(2-chloro-5-nitrophenyl)-1-(4-methyl-3-nitrophenyl)-1-azaethene(E)-1-(2-Chloro-5-nitrophenyl)-N-(4-methyl-3-nitrophenyl)methanimine
Database identifiers
- CAS
5272-73-1- PubChem CID
- 2180481
- DTXSID
DTXSID70366867
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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